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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50119991   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119991
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1
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PC cid
PC sid
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119991
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50119991
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1
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1.13E+6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was determined by competitive displacement assays using rat brain homogenate with [3H]prazosin a...


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair